Chromium, tricarbonyl[(1,2,3,4,5,6-η)-1,3,5-cycloheptatriene]-
- Formula: C10H8CrO3
- Molecular weight: 228.1648
- IUPAC Standard InChI: InChI=1S/C7H8.3CO.Cr/c1-2-4-6-7-5-3-1;3*1-2;/h1-6H,7H2;;;;
- IUPAC Standard InChIKey: RTJMWZLRYSYOEK-UHFFFAOYSA-N
- CAS Registry Number: 12125-72-3
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Chromium, tricarbonyl(1,3,5-cycloheptatriene)-; π-Cycloheptatrienetricarbonylchromium; (Cycloheptatriene)chromium tricarbonyl; Chromium tricarbonyl complex with cycloheptatriene; Cycloheptatrienetricarbonylchromium; Tricarbonyl(cycloheptatriene)chromium; Chromium, tricarbonyl[η6]-1,3,5-cycloheptatriene; Tricarbonyl(η-1,3,5-cycloheptatriene)chromium; Chromium, tricarbonyl[(1,2,3,4,5,6-η6)-1,3,5-cycloheptatriene]-; Tropilidenechromium tricarbonyl; tricarbonyl[(1,2,3,4,5,6-η)-1,3,5-cycloheptatriene]chromium
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Gas phase ion energetics data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 6.9 ± 0.2 | EI | Davis, Ojo, et al., 1978 | LLK |
| 7.10 | EI | Muller, 1969 | RDSH |
| 7.18 | PE | Fragala, Ciliberto, et al., 1979 | Vertical value; LLK |
| 7.30 ± 0.05 | PE | Gower, Kane-Maguire, et al., 1977 | Vertical value; LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C7H8Cr+ | 10.2 ± 0.2 | 3CO | EI | Davis, Ojo, et al., 1978 | LLK |
| Cr+ | 13.3 ± 0.2 | C7H8+3CO | EI | Davis, Ojo, et al., 1978 | LLK |
References
Go To: Top, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Davis, Ojo, et al., 1978
Davis, R.; Ojo, I.A.; Webb, M.L.,
Mass spectrometry of transition-metal π-complexes, V.-Fragmentation and structure of chromium-coordinated [C7H8]+ and [C8H10]+ ions,
Org. Mass Spectrom., 1978, 13, 547. [all data]
Muller, 1969
Muller, J.,
Ionisierungspotentiale von substituierten Benzolchrom-tricarbonyl-Komplexen,
J. Organometal. Chem., 1969, 18, 321. [all data]
Fragala, Ciliberto, et al., 1979
Fragala, I.; Ciliberto, E.; Granozzi, G.; Deganello, G.,
He-I and He-II excited photoelectron spectra of cycloheptatrienetricarbonyl complexes of group VIA metals,
J. Organomet. Chem., 1979, 182, 511. [all data]
Gower, Kane-Maguire, et al., 1977
Gower, M.; Kane-Maguire, L.A.P.; Maier, J.P.; Sweigart, D.A.,
Ultraviolet photoelectron spectra of cyclohepta-1,3,5-triene and mesitylene tricarbonyl complexes of the group 6A metals,
J. Chem. Soc. Dalton Trans., 1977, 316. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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